Exact Mass: 268.0735552
Exact Mass Matches: 268.0735552
Found 500 metabolites which its exact mass value is equals to given mass value 268.0735552,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Inosine
C10H12N4O5 (268.08076619999997)
Inosine, also known as hypoxanthosine or inotin, belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. Inosine is formed when hypoxanthine is attached to a ribose ring a beta-N9-glycosidic bond. Inosine is an intermediate in the degradation of purines and purine nucleosides to uric acid. Inosine is also an intermediate in the purine salvage pathway. Inosine occurs in the anticodon of certain transfer RNA molecules and is essential for proper translation of the genetic code in wobble base pairs. Inosine exists in all living species, ranging from bacteria to plants to humans. Inosine participates in a number of enzymatic reactions. In particular, inosine can be biosynthesized from inosinic acid through its interaction with the enzyme known as cytosolic purine 5-nucleotidase. In addition, inosine can be converted into hypoxanthine and ribose 1-phosphate through its interaction with the enzyme known as purine nucleoside phosphorylase. Altered levels of inosine have also been associated with purine nucleoside phosphorylase deficiency and xanthinuria type I, both of which are inborn errors of metabolism. Animal studies have suggested that inosine has neuroprotective properties. It has been proposed as a potential treatment for spinal cord injury (PMID: 16317421) and for administration after stroke, as inosine appears to induce axonal rewiring (PMID: 12084941). After ingestion, inosine is metabolized into uric acid, which has been found to be a natural antioxidant and peroxynitrite scavenger. As such, inosine may have potential benefits to patients with multiple sclerosis and Parkinson’s disease (PMID: 19425822). Inosine can also be produced by gut bacteria and appears to have a number of beneficial effects. Inosine, has been shown to activate peroxisome proliferator-activated receptor (PPAR)-gamma signaling in human colon epithelial cells. Furthermore, exogenous treatment of inosine has been found to protect against DSS-induced colitis in rodents by improving adenosine 2A receptor (A2AR)/PPAR-gamma-dependent mucosal barrier functions (PMID: 33820558). Microbiome-derived inosine has also been shown to modulate the response to checkpoint inhibitor immunotherapy in cancer models. In particular, decreased gut barrier function induced by immunotherapy increases systemic translocation of bacterially derived inosine and activates antitumor T cells. The effect of inosine is dependent on T cell expression of the adenosine A2A receptor and requires co-stimulation. Inosine appears to have other roles in non-mammalian system. For instance, it has been found to be an important feed stimulant by itself or in combination with certain amino acids in some species of farmed fish. For example, inosine and inosine-5-monophosphate have been reported as specific feeding stimulants for turbot fry, (Scophthalmus maximus) and Japanese amberjack. Inosine is a purine nucleoside in which hypoxanthine is attached to ribofuranose via a beta-N(9)-glycosidic bond. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a purines D-ribonucleoside and a member of inosines. It is functionally related to a hypoxanthine and a ribofuranose. A purine nucleoside that has hypoxanthine linked by the N9 nitrogen to the C1 carbon of ribose. It is an intermediate in the degradation of purines and purine nucleosides to uric acid and in pathways of purine salvage. It also occurs in the anticodon of certain transfer RNA molecules. (Dorland, 28th ed) Inosine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Inosine is a natural product found in Fritillaria thunbergii, Cichorium endivia, and other organisms with data available. Inosine is a metabolite found in or produced by Saccharomyces cerevisiae. A purine nucleoside that has hypoxanthine linked by the N9 nitrogen to the C1 carbon of ribose. It is an intermediate in the degradation of purines and purine nucleosides to uric acid and in pathways of purine salvage. It also occurs in the anticodon of certain transfer RNA molecules. (Dorland, 28th ed) G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals A purine nucleoside in which hypoxanthine is attached to ribofuranose via a beta-N(9)-glycosidic bond. COVID info from COVID-19 Disease Map, clinicaltrial, clinicaltrials, clinical trial, clinical trials S - Sensory organs > S01 - Ophthalmologicals Present in meat extracts and sugar beet Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS [Spectral] Inosine (exact mass = 268.08077) and L-Methionine (exact mass = 149.05105) and Adenosine (exact mass = 267.09675) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. [Spectral] Inosine (exact mass = 268.08077) and L-Tyrosine (exact mass = 181.07389) and Guanosine (exact mass = 283.09167) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. [Spectral] Inosine (exact mass = 268.08077) and S-Adenosyl-L-homocysteine (exact mass = 384.12159) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. [Spectral] Inosine (exact mass = 268.08077) and Guanosine (exact mass = 283.09167) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE standard compound; INTERNAL_ID 110 KEIO_ID I003 Inosine is an endogenous purine nucleoside produced by catabolism of adenosine. Inosine has anti-inflammatory, antinociceptive, immunomodulatory and neuroprotective effects. Inosine is an agonist for adenosine A1 (A1R) and A2A (A2AR) receptors[1][2][3]. Inosine is an endogenous purine nucleoside produced by catabolism of adenosine. Inosine has anti-inflammatory, antinociceptive, immunomodulatory and neuroprotective effects. Inosine is an agonist for adenosine A1 (A1R) and A2A (A2AR) receptors[1][2][3]. Inosine is an endogenous purine nucleoside produced by catabolism of adenosine. Inosine has anti-inflammatory, antinociceptive, immunomodulatory and neuroprotective effects. Inosine is an agonist for adenosine A1 (A1R) and A2A (A2AR) receptors[1][2][3]. Inosine is an endogenous purine nucleoside produced by catabolism of adenosine. Inosine has anti-inflammatory, antinociceptive, immunomodulatory and neuroprotective effects. Inosine is an agonist for adenosine A1 (A1R) and A2A (A2AR) receptors[1][2][3].
Formononetin
Formononetin is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by a methoxy group at position 4. It has a role as a phytoestrogen and a plant metabolite. It is a member of 7-hydroxyisoflavones and a member of 4-methoxyisoflavones. It is functionally related to a daidzein. It is a conjugate acid of a formononetin(1-). Formononetin is under investigation in clinical trial NCT02174666 (Isoflavone Treatment for Postmenopausal Osteopenia.). Formononetin is a natural product found in Pterocarpus indicus, Ardisia paniculata, and other organisms with data available. See also: Astragalus propinquus root (part of); Trifolium pratense flower (part of). Formononetin are abundant in vegetables. It is a phyto-oestrogen that is a polyphenolic non-steroidal plant compound with oestrogen-like biological activity (PMID: 16108819). It can be the source of considerable estrogenic activity (http://www.herbalchem.net/Intermediate.htm). Widespread isoflavone found in soy beans (Glycine max), red clover (Trifolium pratense and chick peas (Cicer arietinum). Potential nutriceutical A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by a methoxy group at position 4. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens CONFIDENCE standard compound; INTERNAL_ID 301; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8803; ORIGINAL_PRECURSOR_SCAN_NO 8802 CONFIDENCE standard compound; INTERNAL_ID 301; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8826; ORIGINAL_PRECURSOR_SCAN_NO 8825 CONFIDENCE standard compound; INTERNAL_ID 301; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4484; ORIGINAL_PRECURSOR_SCAN_NO 4480 CONFIDENCE standard compound; INTERNAL_ID 301; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4474; ORIGINAL_PRECURSOR_SCAN_NO 4471 DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 301; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4474; ORIGINAL_PRECURSOR_SCAN_NO 4470 CONFIDENCE standard compound; INTERNAL_ID 301; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8863; ORIGINAL_PRECURSOR_SCAN_NO 8861 CONFIDENCE standard compound; INTERNAL_ID 301; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4474; ORIGINAL_PRECURSOR_SCAN_NO 4470 CONFIDENCE standard compound; INTERNAL_ID 301; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8847; ORIGINAL_PRECURSOR_SCAN_NO 8844 CONFIDENCE standard compound; INTERNAL_ID 301; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8852; ORIGINAL_PRECURSOR_SCAN_NO 8851 CONFIDENCE standard compound; INTERNAL_ID 301; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8822; ORIGINAL_PRECURSOR_SCAN_NO 8821 CONFIDENCE standard compound; INTERNAL_ID 301; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4569; ORIGINAL_PRECURSOR_SCAN_NO 4566 CONFIDENCE standard compound; INTERNAL_ID 301; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4507; ORIGINAL_PRECURSOR_SCAN_NO 4504 Acquisition and generation of the data is financially supported in part by CREST/JST. INTERNAL_ID 2291; CONFIDENCE Reference Standard (Level 1) CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2291 IPB_RECORD: 481; CONFIDENCE confident structure Formononetin is a potent FGFR2 inhibitor with an IC50 of ~4.31 μM. Formononetin potently inhibits angiogenesis and tumor growth[1]. Formononetin is a potent FGFR2 inhibitor with an IC50 of ~4.31 μM. Formononetin potently inhibits angiogenesis and tumor growth[1].
DL-Homocystine
Homocystine is the oxidized form of homocysteine. Homocystine is a dipeptide consisting of two homocysteine molecules joined by a disulfide bond. Homocysteine is a sulfur-containing amino acid that arises during methionine metabolism. Homocystine occurs only transiently before being reduced to homocysteine and converted to the harmless cystathionine via a vitamin B6-dependent enzyme. Homocystine and homocysteine-cysteine mixed disulfides account for >98\\\\\% of total homocysteine in plasma from healthy individuals (PMID 11592966). Homocystine has been shown to stereospecifically induce endothelial nitric oxide synthase-dependent lipid peroxidation in endothelial cells, thereby inducing a vascular cell type-specific oxidative stress. This vascular stress is associated with atherothrombotic cardiovascular disease (PMID: 14980706). High levels of homocysteine (and homocysteine) can be found in individuals suffering from homocystinura due to cystathionine synthase deficiency (PMID: 4685596) Homocystine is the double-bonded form of homocysteine, but it occurs only transiently before being converted to the harmless cystathionine via a vitamin B6-dependent enzyme. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID H041 4,4'-Disulfanediylbis(2-aminobutanoic acid) is an endogenous metabolite. DL-Homocystine is the double-bonded form of homocysteine and homocysteine is recognized as an important substance in the pathogenesis and pathophysiology of schizophrenia. L-Homocystine is the oxidized member of the L-homocysteine. Homocysteine is a pro-thrombotic factor, vasodilation impairing agent, pro-inflammatory factor and endoplasmatic reticulum-stress inducer used to study cardiovascular disease mechanisms.
Tectochrysin
7-methylchrysin, also known as 5-hydroxy-7-methoxyflavone or techtochrysin, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, 7-methylchrysin is considered to be a flavonoid lipid molecule. 7-methylchrysin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 7-methylchrysin can be found in pine nut, prunus (cherry, plum), sour cherry, and sweet cherry, which makes 7-methylchrysin a potential biomarker for the consumption of these food products. relative retention time with respect to 9-anthracene Carboxylic Acid is 1.330 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.324 Tectochrysin (Techtochrysin) is one of the major flavonoids of Alpinia oxyphylla Miquel. Tectochrysin inhibits activity of NF-κB. Tectochrysin (Techtochrysin) is one of the major flavonoids of Alpinia oxyphylla Miquel. Tectochrysin inhibits activity of NF-κB.
3-Hydroxybenzo(a)pyrene
CONFIDENCE standard compound; INTERNAL_ID 45
Dalbergin
A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Glycine-betaxanthin
Isoformononetin
Isoformononetin is found in pulses. Isoformononetin is isolated from soybean (Glycine max) and other plants. Isolated from soybean (Glycine max) and other plants. Isoformononetin is found in soy bean and pulses. Isoformononetin is an analog of Daidzein (HY-N0019) and has immunoprotective effects. Isoformononetin inhibits the differentiation of Th17 and B-cells lymphopoesis to promote osteogenesis in estrogen-deficient bone loss conditions[1]. Isoformononetin is an analog of Daidzein (HY-N0019) and has immunoprotective effects. Isoformononetin inhibits the differentiation of Th17 and B-cells lymphopoesis to promote osteogenesis in estrogen-deficient bone loss conditions[1].
9-Hydroxybenzo[a]pyrene
9-Hydroxybenzo[a]pyrene, also known as benzo[Def]chrysen-9-ol or 9-hydroxybenzo(a)Pyrene, 3H-labeled, is classified as a member of the Benzopyrenes. Benzopyrenes are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system. 9-Hydroxybenzo[a]pyrene is considered to be practically insoluble (in water) and acidic
Benzo[a]pyrene-9,10-oxide
This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
Benzo[a]pyrene-7,8-oxide
This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
Benzo[a]pyrene-4,5-oxide
This compound belongs to the family of Chrysenes. These are compounds containing the polyaromatic chrysene moiety, which consists of a benzene ring fused to a phenanthrene ring system to form Benzo[a]phenanthrene. D009676 - Noxae > D002273 - Carcinogens
2,3-Dihydroxycarbamazepine
2,3-Dihydroxycarbamazepine is a metabolite of carbamazepine. Carbamazepine (CBZ) is an anticonvulsant and mood-stabilizing drug used primarily in the treatment of epilepsy and bipolar disorder, as well as trigeminal neuralgia. (Wikipedia)
DL-Homocystine
4,4'-Disulfanediylbis(2-aminobutanoic acid) is an endogenous metabolite. DL-Homocystine is the double-bonded form of homocysteine and homocysteine is recognized as an important substance in the pathogenesis and pathophysiology of schizophrenia.
8-Hydroxy-1-methoxy-3-methylanthraquinone
8-Hydroxy-1-methoxy-3-methylanthraquinone is found in garden rhubarb. 8-Hydroxy-1-methoxy-3-methylanthraquinone is a constituent of Rumex acetosa (sorrel). Constituent of Rumex acetosa (sorrel). 8-Hydroxy-1-methoxy-3-methylanthraquinone is found in green vegetables and garden rhubarb.
4-Hydroxyphenytoin
4-Hydroxyphenytoin, also known as hydroxyphenytoin or 4-HPPH, belongs to the class of organic compounds known as phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group. 4-Hydroxyphenytoin is a metabolite of the anti-seizure medication phenytoin (PHT) and is excreted in the urine (PMID: 15855726).
Trigraecum
Trigraecum is found in herbs and spices. Trigraecum is isolated from Trigonella foenum-graecum (fenugreek
1,3-Dimethoxyanthraquinone
1,3-Dimethoxyanthraquinone is found in beverages. 1,3-Dimethoxyanthraquinone is isolated from Asperula odorata (sweet woodruff). Isolated from Asperula odorata (sweet woodruff). 1,3-Dimethoxyanthraquinone is found in tea, herbs and spices, and beverages.
Cysteinyl-Phenylalanine
Cysteinyl-Phenylalanine is a dipeptide composed of cysteine and phenylalanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Phenylalanylcysteine
Phenylalanylcysteine is a dipeptide composed of phenylalanine and cysteine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid (KDN) is a sialic acid (Sia) that is ubiquitously expressed in vertebrates during normal development and tumorigenesis. Its expression is thought to be regulated by multiple biosynthetic steps catalyzed by several enzymes, including CMP-Sia synthetase. (PMID 11479279) Sialic acids are frequently the terminal sugars on secreted and cell surface glycoproteins and glycolipids, and their presence can have considerable influence on the biological properties of a cell. For example, the temporal appearance and disappearance of polysialic polymers has been intimately linked with the proper development of neural tissues during embryogenesis. In pathogenic diseases, including meningitis and gastric inflammation, particular microbes recognize cell surface sialic acids when invading host cells. Sialic acid residues can also mask recognition sites such as galactose residues on glycoproteins to prevent their in vivo removal by asialoglycoprotein receptors. In certain cancers, changes in sialic acid amounts, types, and linkages have been associated with tumorogenesis and cancer metastasis. (PMID 10749855) [HMDB] 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid (KDN) is a sialic acid (Sia) that is ubiquitously expressed in vertebrates during normal development and tumorigenesis. Its expression is thought to be regulated by multiple biosynthetic steps catalyzed by several enzymes, including CMP-Sia synthetase. (PMID 11479279) Sialic acids are frequently the terminal sugars on secreted and cell surface glycoproteins and glycolipids, and their presence can have considerable influence on the biological properties of a cell. For example, the temporal appearance and disappearance of polysialic polymers has been intimately linked with the proper development of neural tissues during embryogenesis. In pathogenic diseases, including meningitis and gastric inflammation, particular microbes recognize cell surface sialic acids when invading host cells. Sialic acid residues can also mask recognition sites such as galactose residues on glycoproteins to prevent their in vivo removal by asialoglycoprotein receptors. In certain cancers, changes in sialic acid amounts, types, and linkages have been associated with tumorogenesis and cancer metastasis. (PMID 10749855).
Allopurinol riboside
C10H12N4O5 (268.08076619999997)
Allopurinol is an analog of the natural purines in the body, and is quickly metabolized to oxypurines which is also a xanthine oxidase inhibitor. Allopurinol is a white, powdery drug used to treat gout. Its use in the United States was started in 1964. It is an isomer of hypoxanthine and inhibits the production of uric acid, the metabolite responsible for gout, by inhibiting the enzyme xanthine oxidase. The side effects of high levels of precursors are usually minor. A small percentage of people develop a rash and must discontinue this drug. The most serious adverse event is a hypersensitivity syndrome consisting of fever, skin rash, eosinophilia, hepatitis, and worsening renal function. In some cases, allopurinol hypersensitivity syndrome. [HMDB] Allopurinol is an analog of the natural purines in the body, and is quickly metabolized to oxypurines which is also a xanthine oxidase inhibitor. Allopurinol is a white, powdery drug used to treat gout. Its use in the United States was started in 1964. It is an isomer of hypoxanthine and inhibits the production of uric acid, the metabolite responsible for gout, by inhibiting the enzyme xanthine oxidase. The side effects of high levels of precursors are usually minor. A small percentage of people develop a rash and must discontinue this drug. The most serious adverse event is a hypersensitivity syndrome consisting of fever, skin rash, eosinophilia, hepatitis, and worsening renal function. In some cases, allopurinol hypersensitivity syndrome. Allopurinol riboside, a metabolite of allopurinol, shows potent activities against parasites. Allopurinol riboside, a metabolite of allopurinol, shows potent activities against parasites.
L-Homocystine
Homocystine is the oxidized form of homocysteine. Homocystine is a dipeptide consisting of two homocysteine molecules joined by a disulfide bond. Homocysteine is a sulfur-containing amino acid that arises during methionine metabolism. Homocystine occurs only transiently before being reduced to homocysteine and converted to the harmless cystathionine via a vitamin B6-dependent enzyme. Homocystine and homocysteine-cysteine mixed disulfides account for >98\\\% of total homocysteine in plasma from healthy individuals (PMID 11592966). Homocystine has been shown to stereospecifically induce endothelial nitric oxide synthase-dependent lipid peroxidation in endothelial cells, thereby inducing a vascular cell type-specific oxidative stress. This vascular stress is associated with atherothrombotic cardiovascular disease (PMID: 14980706). High levels of homocysteine (and homocysteine) can be found in individuals suffering from homocystinura due to cystathionine synthase deficiency (PMID: 4685596) Homocystine is the double-bonded form of homocysteine, but it occurs only transiently before being converted to the harmless cystathionine via a vitamin B6-dependent enzyme. L-Homocystine is the oxidized member of the L-homocysteine. Homocysteine is a pro-thrombotic factor, vasodilation impairing agent, pro-inflammatory factor and endoplasmatic reticulum-stress inducer used to study cardiovascular disease mechanisms.
Homolanthionine
Homolanthionine is formed from homocysteine and homoserine by a condensation analogous to that normally leading to cystathionine. The only other known occurrence of homolanthionine in nature is in a methionine-requiring mutant strain of Escherichia coli. Patients with homocystinuria excrete small amounts of L-homolanthionine in their urine. [HMDB] Homolanthionine is formed from homocysteine and homoserine by a condensation analogous to that normally leading to cystathionine. The only other known occurrence of homolanthionine in nature is in a methionine-requiring mutant strain of Escherichia coli. Patients with homocystinuria excrete small amounts of L-homolanthionine in their urine.
Arabinosylhypoxanthine
C10H12N4O5 (268.08076619999997)
Arabinosylhypoxanthine is found to have a potent antiviral activity for herpes simplex infected cells. The final metabolite in the conversion of Arabinosyladenine-5-monophosphate to arabinosyladenine then to Arabinosylhypoxanthine. Found to have a potent antiviral activity for herpes simplex infected cells. The final metabolite in the conversion of Arabinosyladenine-5-monophosphate to arabinosyladenine then to Arabinosylhypoxanthine. [HMDB] Arabinosylhypoxanthine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
DHAP(6:0)
DHAP(6:0) is the hexanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by hexanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts. [HMDB] DHAP(6:0) is the hexanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by hexanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts.
3'-HPPH
3-HPPH, also called (5R)-5-(3-hydroxyphenyl)-5-phenylimidazolidine-2,4-dione or 3’-hydroxyphenytoin, is a metabolite of Phenytoin. Phenytoin is an anticonvulsant used to treat epilepsy. 3-HPPH belongs to the family of compounds known as Diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. 3-HPPH or 3’-hydroxyphenytoin is only found in individuals that have used or taken Phenytoin.
Phenytoin arene-oxide
Phenytoin arene-oxide is a metabolite of phenytoin. Phenytoin sodium is a commonly used antiepileptic. Phenytoin acts to suppress the abnormal brain activity seen in seizure by reducing electrical conductance among brain cells by stabilizing the inactive state of voltage-gated sodium channels. Aside from seizures, it is an option in the treatment of trigeminal neuralgia in the event that carbamazepine or other first-line treatment seems inappropriate. It is sometimes considered a class 1b antiarrhythmic. (Wikipedia)
(1S,2R)-N-Methyl-1-oxo-2-pyridin-3-ylthiane-2-carbothioamide
C12H16N2OS2 (268.07040059999997)
4-O,6-O-Benzylidene-alpha-D-glucopyranose
4,6-benzylidene-d-glucose, also known as benzylidene glucopyranose, is a member of the class of compounds known as pyranodioxins. Pyranodioxins are polycyclic compounds containing a pyranodioxin moiety, which consists of a pyran ring fused to a dioxin ring. 4,6-benzylidene-d-glucose is soluble (in water) and a very weakly acidic compound (based on its pKa). 4,6-benzylidene-d-glucose can be found in fig, which makes 4,6-benzylidene-d-glucose a potential biomarker for the consumption of this food product.
Ara-HX
C10H12N4O5 (268.08076619999997)
Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate
Formycin b
C10H12N4O5 (268.08076619999997)
Furobufen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Pyran-3,4-dicarboxylic anhydride, tetrahydro-2-methyl-6-(tetrahydro-2,5-dioxo-3-furyl)-, polymer
Penicillamine cysteine disulfide
zardaverine
C12H10F2N2O3 (268.06594540000003)
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
(-)-medicarpin
(-)-medicarpin is a member of the class of compounds known as isoflavonoids. Isoflavonoids are natural products derived from 3-phenylchromen-4-one (-)-medicarpin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (-)-medicarpin can be found in a number of food items such as oriental wheat, arrowroot, french plantain, and grape, which makes (-)-medicarpin a potential biomarker for the consumption of these food products.
Cedazuridine
Inosine
C10H12N4O5 (268.08076619999997)
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals COVID info from COVID-19 Disease Map, clinicaltrial, clinicaltrials, clinical trial, clinical trials S - Sensory organs > S01 - Ophthalmologicals Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Inosine is an endogenous purine nucleoside produced by catabolism of adenosine. Inosine has anti-inflammatory, antinociceptive, immunomodulatory and neuroprotective effects. Inosine is an agonist for adenosine A1 (A1R) and A2A (A2AR) receptors[1][2][3]. Inosine is an endogenous purine nucleoside produced by catabolism of adenosine. Inosine has anti-inflammatory, antinociceptive, immunomodulatory and neuroprotective effects. Inosine is an agonist for adenosine A1 (A1R) and A2A (A2AR) receptors[1][2][3]. Inosine is an endogenous purine nucleoside produced by catabolism of adenosine. Inosine has anti-inflammatory, antinociceptive, immunomodulatory and neuroprotective effects. Inosine is an agonist for adenosine A1 (A1R) and A2A (A2AR) receptors[1][2][3]. Inosine is an endogenous purine nucleoside produced by catabolism of adenosine. Inosine has anti-inflammatory, antinociceptive, immunomodulatory and neuroprotective effects. Inosine is an agonist for adenosine A1 (A1R) and A2A (A2AR) receptors[1][2][3].
Techtochrysin
Tectochrysin is a monohydroxyflavone that is flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively. It has a role as a plant metabolite, an antidiarrhoeal drug and an antineoplastic agent. It is a monohydroxyflavone and a monomethoxyflavone. It is functionally related to a flavone. Tectochrysin is a natural product found in Hedychium spicatum, Populus laurifolia, and other organisms with data available. A monohydroxyflavone that is flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively. Tectochrysin (Techtochrysin) is one of the major flavonoids of Alpinia oxyphylla Miquel. Tectochrysin inhibits activity of NF-κB. Tectochrysin (Techtochrysin) is one of the major flavonoids of Alpinia oxyphylla Miquel. Tectochrysin inhibits activity of NF-κB.
1,6,8-Trihydroxy-3,4,5-trimethyl-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid
Rubiadin 1-methyl ether
Rubiadin-1-methyl ether is a natural anthraquinone isolated from Morinda officinalis How, and inhibits osteoclastic bone resorption via inhibition on the phosphorylation of NF-κB p65 and the degradation of IκBα as well as decrease in the nuclear translocation of p65[1]. Rubiadin-1-methyl ether is a natural anthraquinone isolated from Morinda officinalis How, and inhibits osteoclastic bone resorption via inhibition on the phosphorylation of NF-κB p65 and the degradation of IκBα as well as decrease in the nuclear translocation of p65[1].
4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)oxolan-2-one
4-Methoxyflavonol
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.247 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.249
Dalbergin
Dalbergin is a neoflavonoid. Dalbergin is a natural product found in Dalbergia cochinchinensis, Pterocarpus santalinus, and other organisms with data available.
Biochanin B
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Formononetin is a potent FGFR2 inhibitor with an IC50 of ~4.31 μM. Formononetin potently inhibits angiogenesis and tumor growth[1]. Formononetin is a potent FGFR2 inhibitor with an IC50 of ~4.31 μM. Formononetin potently inhibits angiogenesis and tumor growth[1].
Isoformononetin
Isoformononetin is an analog of Daidzein (HY-N0019) and has immunoprotective effects. Isoformononetin inhibits the differentiation of Th17 and B-cells lymphopoesis to promote osteogenesis in estrogen-deficient bone loss conditions[1]. Isoformononetin is an analog of Daidzein (HY-N0019) and has immunoprotective effects. Isoformononetin inhibits the differentiation of Th17 and B-cells lymphopoesis to promote osteogenesis in estrogen-deficient bone loss conditions[1].
N-(3-Cyano-4,5-dihydronaphtho[1,2-b]thiophen-2-yl)acetamide
zardaverine
C12H10F2N2O3 (268.06594540000003)
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
3-Methoxyflavonol
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.241 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.240 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.247 3'-Methoxyflavonol is a selective agonist of neuromedin U 2 receptor (NMU2R).
7-HYDROXY-3-METHOXYFLAVONE
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.167 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.168 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.162 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.164
5-HYDROXY-3-METHOXYFLAVONE
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.313 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.314
1-Oxo-5-Hydroxy-6-methoxy-2-methyl-3-phenylbenzofuran
6H-Benzofuro[3,2-c][1]benzopyran-9-ol, 6a,11a-dihydro-3-methoxy-, (6aR-cis)-; (6aR,11aR)-6a,11a-Dihydro-3-methoxy-6H-benzofuro[3,2-c][1]benzopyran-9-ol; 3-Methoxy-9-hydroxypterocarpan
1-Hydroxy-6-methoxy-3-methylanthrachinon|6-Me ether-Phomarin|phomarin 6-methyl ether|Phomarin-6-methylether
1-hydroxy-5-methoxy-3-methyl-9,10 dihydroanthracene 9,10-dione|1-Hydroxy-5-methoxy-3-methyl-anthrachinon|1-hydroxy-5-methoxy-3-methyl-anthraquinone|ziganein-5-methyl ether
3-Ethoxy-5-hydroxy-4-(hydroxymethy1)-7-methoxy-6-methy1-1(3H)-isobenzofuranone|3-O-Ethyl-cyclopolsaeure|3-O-Ethylcyclopolsaeure
Digitolutein
Digitolutein is a natural product found in Digitalis isabelliana, Digitalis viridiflora, and other organisms with data available.
(1S,5R,6R)-5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl furan-2-carboxylate|epoxydine B
methyl 4-methoxy-3-(3-hydroxy-2-methyl)propionyloxy-benzoate
(3S*,4S*)-3,4-dihydro-3,4,8-trihydroxy-7-(1-hydroxyethyl)-6-methoxynaphthalen-1(2H)-one|botryosphaerone A
(3S*,4S*)-3,4-dihydro-3,4,8-trihydroxy-6-methoxy-7-(2-hydroxyethyl)naphthalen-1(2H)-one|botryosphaerone B
2-(1H-Pyrrole-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid methyl ester
1-hydroxy-2-methoxy-6-methyl-anthracene-9,10-dione
3-(4-hydroxy-phenyl)-7-methoxy-chromen-2-one|3-(p-hydroxyphenyl)-7-methoxycoumarin|7-Methoxy-4-hydroxy-3-phenylcoumarin
4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxybenzaldehyde
3,6-Anhydro-D-galactose-diaethyldithioacetal|3,6-Anhydro-D-galactose-diethyl-mercaptal|3,6-anhydro-D-galactose-diethyldithioacetal|3,6-Anhydro-D-galaktose-diethylmercaptal|3,6-anhydro-L-galactose diethyl dithioacetal
C10H20O4S2 (268.08029600000003)
2-Aethoxy-1-hydroxy-anthrachinon|2-ethoxy-1-hydroxy-anthraquinone|2-ethoxy-1-hydroxyanthracene-9,10-dione|2-ethoxy-1-hydroxyanthraquinone
Di-Me ester-(R)-2-Hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid
4H-1-Benzopyran-4-one, 7-hydroxy-3-methoxy-2-phenyl-
Stellarine C
1-acetyl-3-methoxycarbonyl-beta-carboline is a harmala alkaloid. It has a role as a metabolite. 1-Acetyl-3-methoxycarbonyl-beta-carboline is a natural product found in Stellaria dichotoma var. lanceolata with data available. A natural product found in Stellaria dichotoma var. lanceolata.
MK2IXH6AUE
Rubiadin 1-methyl ether is a natural product found in Prismatomeris tetrandra, Coprosma areolata, and other organisms with data available. Rubiadin-1-methyl ether is a natural anthraquinone isolated from Morinda officinalis How, and inhibits osteoclastic bone resorption via inhibition on the phosphorylation of NF-κB p65 and the degradation of IκBα as well as decrease in the nuclear translocation of p65[1]. Rubiadin-1-methyl ether is a natural anthraquinone isolated from Morinda officinalis How, and inhibits osteoclastic bone resorption via inhibition on the phosphorylation of NF-κB p65 and the degradation of IκBα as well as decrease in the nuclear translocation of p65[1].
Isoformononetin
Isoformononetin is a methoxyisoflavone that is isoflavone substituted at positions 4 and 7 by hydroxy and methoxy groups respectively. It has a role as a metabolite, a bone density conservation agent and an apoptosis inhibitor. It is a hydroxyisoflavone and a member of 7-methoxyisoflavones. It is functionally related to a daidzein. Isoformononetin is a natural product found in Oxytropis falcata, Arabidopsis thaliana, and other organisms with data available. A methoxyisoflavone that is isoflavone substituted at positions 4 and 7 by hydroxy and methoxy groups respectively. Isoformononetin is found in pulses. Isoformononetin is isolated from soybean (Glycine max) and other plants. Isolated from soybean (Glycine max) and other plants. Isoformononetin is found in soy bean and pulses. Isoformononetin is an analog of Daidzein (HY-N0019) and has immunoprotective effects. Isoformononetin inhibits the differentiation of Th17 and B-cells lymphopoesis to promote osteogenesis in estrogen-deficient bone loss conditions[1]. Isoformononetin is an analog of Daidzein (HY-N0019) and has immunoprotective effects. Isoformononetin inhibits the differentiation of Th17 and B-cells lymphopoesis to promote osteogenesis in estrogen-deficient bone loss conditions[1].
8-Methyl Chrysophanol
1-Hydroxy-8-methoxy-3-methylanthracene-9,10-dione is a natural product found in Ventilago denticulata, Aloe debrana, and other organisms with data available.
Formononetin
Annotation level-1 D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens relative retention time with respect to 9-anthracene Carboxylic Acid is 1.059 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.061 Formononetin is a potent FGFR2 inhibitor with an IC50 of ~4.31 μM. Formononetin potently inhibits angiogenesis and tumor growth[1]. Formononetin is a potent FGFR2 inhibitor with an IC50 of ~4.31 μM. Formononetin potently inhibits angiogenesis and tumor growth[1].
Inosine
C10H12N4O5 (268.08076619999997)
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals Formula(Parent): C10H12N4O5; Bottle Name:Inosine; PRIME Parent Name:Inosine; PRIME in-house No.:0256, Purines COVID info from COVID-19 Disease Map, clinicaltrial, clinicaltrials, clinical trial, clinical trials S - Sensory organs > S01 - Ophthalmologicals Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; UGQMRVRMYYASKQ_STSL_0164_Inosine_2000fmol_180430_S2_LC02_MS02_125; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053 Inosine is an endogenous purine nucleoside produced by catabolism of adenosine. Inosine has anti-inflammatory, antinociceptive, immunomodulatory and neuroprotective effects. Inosine is an agonist for adenosine A1 (A1R) and A2A (A2AR) receptors[1][2][3]. Inosine is an endogenous purine nucleoside produced by catabolism of adenosine. Inosine has anti-inflammatory, antinociceptive, immunomodulatory and neuroprotective effects. Inosine is an agonist for adenosine A1 (A1R) and A2A (A2AR) receptors[1][2][3]. Inosine is an endogenous purine nucleoside produced by catabolism of adenosine. Inosine has anti-inflammatory, antinociceptive, immunomodulatory and neuroprotective effects. Inosine is an agonist for adenosine A1 (A1R) and A2A (A2AR) receptors[1][2][3]. Inosine is an endogenous purine nucleoside produced by catabolism of adenosine. Inosine has anti-inflammatory, antinociceptive, immunomodulatory and neuroprotective effects. Inosine is an agonist for adenosine A1 (A1R) and A2A (A2AR) receptors[1][2][3].
(5-Hydroxy-benzofuran-3-yl)-(4-methoxy-phenyl)-methanone
Homocystine
An organic disulfide obtained by oxidative dimerisation of homocysteine. 4,4'-Disulfanediylbis(2-aminobutanoic acid) is an endogenous metabolite.
L-Homocystine
A homocystine in which both chiral centres have L configuration. 4,4'-Disulfanediylbis(2-aminobutanoic acid) is an endogenous metabolite. L-Homocystine is the oxidized member of the L-homocysteine. Homocysteine is a pro-thrombotic factor, vasodilation impairing agent, pro-inflammatory factor and endoplasmatic reticulum-stress inducer used to study cardiovascular disease mechanisms.
7-hydroxy-3-(4-methoxyphenyl)chromen-4-one
7-(1,2-dihydroxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
C15H12N2O3_3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-(1H-pyrrol-2-yl)-, methyl ester
(2E)-2-[hydroxy(phenyl)methylidene]-6-methoxy-1-benzofuran-3-one
methyl 1-oxo-4-(1H-pyrrol-2-yl)-2H-isoquinoline-3-carboxylate
Ctrinin hydrate
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Penicillium improvisum, Penicillium verrucosum
7-(1,2-dihydroxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one [IIN-based: Match]
7-hydroxy-3-(4-methoxyphenyl)chromen-4-one [IIN-based on: CCMSLIB00000847610]
7-hydroxy-3-(4-methoxyphenyl)chromen-4-one [IIN-based: Match]
PharmaGSID_47259
CONFIDENCE standard compound; INTERNAL_ID 1376; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7067; ORIGINAL_PRECURSOR_SCAN_NO 7066 CONFIDENCE standard compound; INTERNAL_ID 1376; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7070; ORIGINAL_PRECURSOR_SCAN_NO 7068 CONFIDENCE standard compound; INTERNAL_ID 1376; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7088; ORIGINAL_PRECURSOR_SCAN_NO 7086 CONFIDENCE standard compound; INTERNAL_ID 1376; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7091; ORIGINAL_PRECURSOR_SCAN_NO 7088 CONFIDENCE standard compound; INTERNAL_ID 1376; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7102; ORIGINAL_PRECURSOR_SCAN_NO 7098
2,4-Imidazolidinedione, 5-(7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl)-5-phenyl-
Arabinosylhypoxanthine
C10H12N4O5 (268.08076619999997)
Arabinosylhypoxanthine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid
Allopurinol riboside
C10H12N4O5 (268.08076619999997)
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents A nucleoside analogue that is allopurinol with a beta-D-ribofuranosyl moiety at the 1-position. Allopurinol riboside, a metabolite of allopurinol, shows potent activities against parasites. Allopurinol riboside, a metabolite of allopurinol, shows potent activities against parasites.
8-Hydroxy-1-methoxy-3-methylanthraquinone
diethyl 2,6-dimethyl-4-oxo-4h-pyran-3,5-dicarboxylate
4-(4-METHYLPHENYL)-5-PYRIDIN-4-YL-4H-1,2,4-TRIAZOLE-3-THIOL
2-(3-Methoxy-phenyl)-imidazo[1,2-a]pyridine-8-carboxylic acid
2-pyrazin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol
C13H11F3N2O (268.08234319999997)
Nifurdazil
C10H12N4O5 (268.08076619999997)
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent
4(1H)-Quinazolinone,2,3-dihydro-3-(4-methylphenyl)-2-thioxo-
Formycin b
C10H12N4O5 (268.08076619999997)
D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D005573 - Formycins
METHYL 5-(4,4,5-TRIMETHYL-[1,3,2]DIOXABOROLAN-2-YL)THIOPHENE-2-CARBOXYLATE
aprikalim
C12H16N2OS2 (268.07040059999997)
Uracil,5,6-diacetamido-3-acetyl- (5CI)
C10H12N4O5 (268.08076619999997)
5-(Benzyloxy)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
2-Amino-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid hydrochloride
3-(DIMETHYLAMINO)-2-(3-(TRIFLUOROMETHYL)BENZOYL)ACRYLONITRILE
C13H11F3N2O (268.08234319999997)
8-METHOXY-2-METHYL-1-OXO-1,2-DIHYDROBENZO[B]-1,6-NAPHTHYRIDINE-4-CARBALDEHYDE
4-Cyclohexene-1, 2-dicarboxylic acid, mono[2-[(1-oxo-2-propenyl)oxy]-ethyl]ester
Todralazine hydrochloride
D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Todralazine hydrochloride (Ecarazine hydrochloride) is an anti-hypertensive agent, acts as a β2AR blocker, with antioxidant and free radical scavenging activity[1].
Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate
3-BUTYL-2-MERCAPTO-5,6-DIMETHYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE
C12H16N2OS2 (268.07040059999997)
4-(5-AMINO-1H-1,2,4-TRIAZOL-3-YLAMINO)-N-METHYLBENZENESULFONAMIDE
4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carbonitrile
dimethyl 2-[(4-hydroxyphenyl)methyl]-2-methoxypropanedioate
5-Ethynyl uridine
5-Ethynyluridine (5-EU) is a potent cell-permeable nucleoside can be used to label newly synthesized RNA. 5-Ethynyluridine can be used for isolation and sequencing of nascent RNA from neuronal populations in vivo. 5-Ethynyluridine can be used to identify changes in transcription in vivo in nervous system disease models[1][2]. 5-Ethynyluridine is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
2-amino-4-ethyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
N-(4-(2,5-Dioxo-4-oxazolidinyl)butyl)-2,2,2-trifluoroacetamide
Ethyl 3-cyano-2-oxo-6-phenyl-1,2-dihydropyridine-4-carboxylate
C-(2-FLUORO-BIPHENYL-4-YL)-METHYLAMINEHYDROCHLORIDE
6-ACETYL-2-AMINO-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
2-Methoxycarbonylthiophene-3-boronic acid pinacol ester
1-BENZYL-7-METHYL-1H-PYRIDO[2,3-D][1,3]OXAZINE-2,4-DIONE
1-Benzyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid
1-OXO-3-PHENYL-3,4-DIHYDRO-1H-ISOCHROMENE-4-CARBOXYLIC ACID
3-(2-aminoethylsulfanyl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
3-(1,3-Benzodioxol-5-yl)-1-(4-hydroxyphenyl)-2-propen-1-one
2-(4-(4-CHLOROBUTANOYL)PHENYL)-2-METHYLPROPANOIC ACID
3-oxo-3-(3,4,5-trimethoxyphenyl)propionic acid methyl ester
4-benzyl-5-(4-pyridinyl)-4h-1,2,4-triazole-3-thiol
Ethyl 6-chloro-5-ethoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
3-oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)acetic acid
4-(chloromethyl)-1,3-diphenylpyrazole
C16H13ClN2 (268.07672080000003)
2-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
1-ACETYL-6,6-DIMETHYL-3-(METHYLTHIO)-4,5,6,7-TETRAHYDROBENZO[C]THIOPHEN-4-ONE
4-(2-Methylpropoxy)-1,3-benzenedicarbothioamide
C12H16N2OS2 (268.07040059999997)
ethyl 2-[(2-chlorophenyl)hydrazinylidene]-3-oxo-butanoate
5-(6-METHOXYNAPHTHALEN-2-YL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
1-Chloro-4-(3,4-dimethylphenyl)phthalazine
C16H13ClN2 (268.07672080000003)
TERT-BUTYL 2-FORMYL-6,7-DIHYDROTHIAZOLO[5,4-C]PYRIDINE-5(4H)-CARBOXYLATE
Isoxepac
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Amifostine trihydrate
C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent D020011 - Protective Agents > D011837 - Radiation-Protective Agents Amifostine trihydrate (WR2721 trihydrate) is a broad-spectrum cytoprotective agent and a radioprotector. Amifostine trihydrate selectively protects normal tissues from damage caused by radiation and chemotherapy. Amifostine trihydrate is potent hypoxia-inducible factor-α1 (HIF-α1) and p53 inducer. Amifostine trihydrate protects cells from damage by scavenging oxygen-derived free radicals. Amifostine trihydrate reduces renal toxicity and has antiangiogenic action[1][2][3][4].
4-(3,4-DIFLUOROPHENYL)-1,2,3,4-TETRAHYDRO-6-METHYL-2-OXO-5-PYRIMIDINECARBOXYLIC
C12H10F2N2O3 (268.06594540000003)
(4-((4H-1,2,4-Triazol-4-yl)carbamoyl)phenyl)boronic acid hydrochloride
Dazoxiben hydrochloride
C78275 - Agent Affecting Blood or Body Fluid > C29750 - Thrombolytic Agent D004791 - Enzyme Inhibitors
Tolpyrramide
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent
2-Butenoic acid 3-(diethoxyphosphinothioyl)methyl ester
2-Amino-4-(3-amino-3-carboxypropyl)sulfonylbutanoic acid
6-(2,5-Dioxotetrahydrofuran-3-yl)-4-methyltetrahydro-1H-furo[3,4-c]pyran-1,3(6H)-dione
5-Pyridin-4-yl-4-o-tolyl-4H-[1,2,4]triazole-3-thiol
acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester
(2R)-3-Hydroxy-2-(beta-D-mannopyranosyloxy)propanoic acid
(5-Hydroxy-1-benzofuran-3-yl)(4-methoxyphenyl)methanone
4H-1-Benzopyran-4-one, 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-
1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 1-oxo-, ethyl ester
5-Imino-4-(3-trifluoromethyl-phenylazo)-5H-pyrazol-3-ylamine
5-Imino-4-(2-trifluoromethyl-phenylazo)-5H-pyrazol-3-ylamine
2-[(2,3,4-Trifluorobiphenyl-2-Yl)oxy]ethanol
C14H11F3O2 (268.07111019999996)
Furobufen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
4-Hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)oxolan-2-one
[3,4,5,6-Tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] 2-hydroxypropanoate
[2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] 2-hydroxypropanoate
1-Ethyl-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]thiourea
5-(2-furanyl)-N-(4-methylphenyl)-3-isoxazolecarboxamide
1-(3-Hydroxy-2,4,4-trimethyl-1-oxido-5-thiophen-2-yl-2-imidazol-1-iumyl)ethanone
N-pyridin-4-yl-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amine
[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,3-dihydroxypropanoate
3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)oxirane-2-carboxylic acid
6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid
3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid
A deaminoneuraminic acid in which the anomeric centre has beta-configuration.
5-(4-Hydroxyphenyl)-5-phenylimidazolidine-2,4-dione
(2S)-2-amino-4-[(3-amino-3-carboxypropyl)disulfanyl]butanoic acid
(5R)-5-(3-hydroxyphenyl)-5-phenylimidazolidine-2,4-dione
1-Caproyl-sn-glycero-3-phosphate(2-)
A 1-acyl-sn-glycero-3-phosphate(2-) in which the acyl group is specified as caproyl (hexanoyl).
6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone
4-Hydroxyphenytoin
A imidazolidine-2,4-dione that consists of hydantoin bearing phenyl and 4-hydroxyphenyl substituents at position 5.
homocystine zwitterion
Dizwitterionic form of homocystine arising from transfer of two protons from the carboxy to the amino groups; major species at pH 7.3.
2-(alpha-D-mannosyl)-D-glyceric acid
A D-mannosyl-D-glyceric acid where an alpha-D-mannosyl residue is attached at the 2-position.
1,4-DPCA ethyl ester
1,4-DPCA ethyl ester is the ethyl ester of 1,4-DPCA and can inhibit factor inhibiting HIF (FIH)[1].
3-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2h,6h-pyrazolo[4,3-d]pyrimidin-7-one
C10H12N4O5 (268.08076619999997)
(3e)-7-hydroxy-3-[(4-hydroxyphenyl)methylidene]-2h-1-benzopyran-4-one
(3s,4r,5r)-2-(6-hydroxy-9h-purin-2-yl)oxane-3,4,5-triol
C10H12N4O5 (268.08076619999997)
2-(6-hydroxypurin-9-yl)oxane-3,4,5-triol
C10H12N4O5 (268.08076619999997)